6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H14F3N5 — CID 106770554

IUPAC6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccncc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-2-18-10-7-11(21-12(20-10)13(14,15)16)19-8-9-3-5-17-6-4-9/h3-7H,2,8H2,1H3,(H2,18,19,20,21)
InChIKeyIJCTWKCUTWSCEP-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.93
Rot. Bonds5

About 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770554) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770554
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccncc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-2-18-10-7-11(21-12(20-10)13(14,15)16)19-8-9-3-5-17-6-4-9/h3-7H,2,8H2,1H3,(H2,18,19,20,21)
InChIKeyIJCTWKCUTWSCEP-UHFFFAOYSA-N
XLogP2.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769805
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694
6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771685
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771282
6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771943
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770554) is 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NCc2ccncc2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is IJCTWKCUTWSCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-2-18-10-7-11(21-12(20-10)13(14,15)16)19-8-9-3-5-17-6-4-9/h3-7H,2,8H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 297.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).